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The AI agent, incorporating a language model-based molecular generator and a graph neural network-based molecular property predictor, processes a set of user-provided molecules (green) and produces/suggests new molecules (red) with desired chemical/physical properties (i.e. excitation energy). Image credit: Pilsun You, Jason Smith/ORNL, U.S. DOE

A team of computational scientists at ORNL has generated and released datasets of unprecedented scale that provide the ultraviolet visible spectral properties of over 10 million organic molecules. 

ORNL researchers are establishing a digital thread of data, algorithms and workflows to produce a continuously updated model of earth systems.

Digital twins are exactly what they sound like: virtual models of physical reality that continuously update to reflect changes in the real world.

 

Scientists at Oak Ridge National Laboratory contributed to several chapters of the Fifth National Climate Assessment, providing expertise in complex ecosystem processes, energy systems, human dynamics, computational science and Earth-scale modeling. Credit: ORNL, U.S. Dept. of Energy

Scientists at ORNL used their knowledge of complex ecosystem processes, energy systems, human dynamics, computational science and Earth-scale modeling to inform the nation’s latest National Climate Assessment, which draws attention to vulnerabilities and resilience opportunities in every region of the country.

Steven Campbell’s technical expertise supports integration of power electronics innovations from ORNL labs to the electrical grid. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Steven Campbell can often be found deep among tall cases of power electronics, hunkered in his oversized blue lab coat, with 1500 volts of electricity flowing above his head. When interrupted in his laboratory at ORNL, Campbell will usually smile and duck his head.

ORNL Vehicle Power Electronics Research group R&D Associate Subho Mukherjee has been elevated to the senior member grade IEEE. Credit: ORNL, U.S. Dept. of Energy

Subho Mukherjee, an R&D associate in the Vehicle Power Electronics Research group at the Department of Energy’s Oak Ridge National Laboratory, has been elevated to the grade of senior member of the Institute of Electrical and Electronics Engineers.

Clouds of gray smoke in the lower left are funneled northward from wildfires in Western Canada, reaching the edge of the sea ice covering the Arctic Ocean. A second path of thick smoke is visible at the top center of the image, emanating from wildfires in the boreal areas of Russia’s Far East, in this image captured on July 13, 2023. Credit: NASA MODIS

Wildfires have shaped the environment for millennia, but they are increasing in frequency, range and intensity in response to a hotter climate. The phenomenon is being incorporated into high-resolution simulations of the Earth’s climate by scientists at the Department of Energy’s Oak Ridge National Laboratory, with a mission to better understand and predict environmental change.

CFM’s RISE open fan engine architecture. Image: GE Aerospace

To support the development of a revolutionary new open fan engine architecture for the future of flight, GE Aerospace has run simulations using the world’s fastest supercomputer capable of crunching data in excess of exascale speed, or more than a quintillion calculations per second.

The ORNL and Cummins CRADA led to the development of the R&D 100 Award-winning SpaciMS diagnostic tool that enabled researchers to gain a better understanding of reactor and catalytic chemistry. Credit: ORNL, U.S. Dept. of Energy

When Bill Partridge started working with industry partner Cummins in 1997, he was a postdoctoral researcher specializing in applied optical diagnostics and new to Oak Ridge National Laboratory.

LandScan Global depicts population distribution estimates across the planet. The darker orange and red colors above indicate higher population density. Credit: ORNL, U.S. Dept. of Energy

It’s a simple premise: To truly improve the health, safety, and security of human beings, you must first understand where those individuals are.

Jim Szybist, Propulsion Science section head at ORNL, is applying his years of alternative fuel combustion and thermodynamics research to the challenge of cleaning up the hard-to-decarbonize, heavy-duty mobility sector. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy.

What’s getting Jim Szybist fired up these days? It’s the opportunity to apply his years of alternative fuel combustion and thermodynamics research to the challenge of cleaning up the hard-to-decarbonize, heavy-duty mobility sector — from airplanes to locomotives to ships and massive farm combines.